Optimized effective potential from a correlated wave function: OEP-GVB
Proposed for publication in the Journal of Chemical Physics.
Proposed for publication in the Journal of Chemical Physics.
2006 International Conference on Megagauss Magnetic Field Generation and Related Topics, including the International Workshop on High Energy Liners and High Energy Density Applications, MEGAGAUSS
Using two-dimensional (2D), radiation magnetohydrodynamics (RMHD) numerical simulations, we have designed a feasible z-pinch radiation source that ignites a high yield fuel capsule in a z-pinch driven, double ended hohlraum concept. The z-pinch is composed of nested beryllium (Be) shells and a coaxial, cylindrical foam converter. The z-pinch is designed to produce a shaped radiation pulse that compresses a capsule by a sequence of three shocks without significant entropy increase. We present results of simulations pertaining to the z-pinch design, and discuss conditions that must be achieved in the z-pinch to ensure production of the required radiation pulse. © 2008 IEEE.
We present Density Functional Theory (DFT) calculations of water in a region of phase space of interest in shock experiments. The onset of electrical conductivity in shocked water is determined by ionic conductivity, with the electron contribution dominating at higher pressures. The ionic contribution to the conduction is calculated from proton diffusion (Green-Kubo formula) and the electronic contribution is calculated using the Kubo-Greenwood formula [1]. The calculations are performed with VASP, a plane-wave pseudopotential code. At 2000K and a density of 2.3 g/cc, we find a significant dissociation of water into H, OH, and H3O, not only intermittent formation of OH - H3O pairs as suggested earlier for 2000 K and 1.95 g/cc [2]. The calculated conductivity is compared to experimental data [3]. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Safety Administration under contract DE-AC04-94AL85000. This project was supported by the Sandia LDRD office. [1] M. P. Desjarlais, J. D. Kress, and L. A. Collins; Phys. Rev. B 66, 025401 (2002). [2] E. Schwegler, et al. Phys. Rev. Lett. 87, 265501 (2001). [3] P.M. Celliers, et. al. Physics of Plasmas 11, L41 (2004).
Abstract not provided.
Abstract not provided.
Proposed for publication in Contributions to Plasma Physics.
Experimental results [1] for the reflection coefficient of shock compressed xenon are compared with results from quantum molecular dynamics calculations with density functional theory (DFT). The real part of the optical conductivity is calculated within the Kubo-Greenwood formalism and the Kramers-Kroenig relations are used to generate the reflectivity and other optical properties. Improved agreement over non-ideal plasma theory [2] is found with the DFT calculations, but significant differences with the data remain. Since DFT in the various local density approximations tends to underestimate the band gap and overestimate the free electron population, we have used the ionizations from [2] to correct the DFT band gaps. This results in much improved agreement with the xenon reflectivity data and demonstrates a new approach to correcting DFT band gaps.
Abstract not provided.
Abstract not provided.
Warm dense matter is the region in phase space of density and temperature where the thermal, Fermi, and Coulomb energies are approximately equal. The lack of a dominating scale and physical behavior makes it challenging to model the physics to high fidelity. For Sandia, a fundamental understanding of the region is of importance because of the needs of our experimental HEDP programs for high fidelity descriptive and predictive modeling. We show that multi-scale simulations of macroscopic physical phenomena now have predictive capability also for difficult but ubiquitous materials such as stainless steel, a transition metal alloy.
Physical Review B - Condensed Matter and Materials Physics
The principal Hugoniot of liquid deuterium is calculated with density-functional methods. Particular attention is paid to the convergence of thermodynamic quantities with respect to the plane-wave cutoff energy and other simulation constraints. In contrast to earlier density-functional calculations, it is found that the principal Hugoniot results are in very good agreement with gas-gun data at lower pressures and compression ratios. The results at higher pressures are in very good agreement with data from magnetically launched flyer plates and show slightly less compression than earlier density-functional calculations. In addition to the principal Hugoniot, reshock states from a sapphire anvil and third-shock reverberation timings are also calculated. The latter are found to be in very good agreement with recently published results from magnetically launched flyer-plate experiments. © 2003 The American Physical Society.
Abstract not provided.
Using intense magnetic pressure, a method was developed to launch flyer plates to velocities in excess of 20 km s{sup -1}. This technique was used to perform plate-impact, shock wave experiments on cryogenic liquid deuterium (LD{sub 2}) to examine its high-pressure equation of state (EOS). Using an impedance matching method, Hugoniot measurements were obtained in the pressure range of 22--100 GPa. The results of these experiments disagree with the previously reported Hugoniot measurements of LD2 in the pressure range above {approx}40 GPa, but are in good agreement with first principles, ab initio models for hydrogen and its isotopes.
Abstract not provided.
Proposed for publication in Physical Review.
Abstract not provided.
IEEE Transactions on Plasma Science
In conjunction with ongoing high-current experiments on Sandia National Laboratories' Z accelerator (Albuquerque, NM) we have revisited a problem first described in detail by Heinz Knoepfel. Unlike the 1-Tesla MITL's of pulsed power accelerators used to produce intense particle beams, Z's disk, transmission line (downstream of the current addition) is in a 100-1200-Tesla regime; so its conductors cannot be modeled simply as static infinite conductivity boundaries. Using the MHD code [2], [3], [17] MACH2 we have been investigating the conductor hydrodynamics, characterizing the joule heating, magnetic field diffusion, and material deformation, pressure, and velocity over a range of current densities, current rise-times, and conductor materials. The three purposes of this work are 1) to quantify power flow losses owing to ultrahigh magnetic fields, 2) to model the response of VISAR [4], [18], [19] diagnostic samples in various configurations on Z, and 3) to incorporate the most appropriate equation of state and conductivity models into our magnetohydrodynamics (MHD) computations. Certain features are strongly dependent on the details of the conductivity model.
Plasma Physics
The wide-range conductivity model of Lee and More is modified to allow better agreement with recent experimental data and theories for dense plasmas in the metal-insulator transition regime. Modifications primarily include a new ionization equilibrium model, consisting of a smooth blend between single ionization Saha (with a pressure ionization correction) and the generic Thomas-Fermi ionization equilibrium, a more accurate treatment of electron-neutral collisions using a polarization potential, and an empirical modification to the minimum allowed collision time. These simple modifications to the Lee-More algorithm permit a more accurate modeling of the physics near the metal-insulator transition, while preserving the generic Lee-More results elsewhere.